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PDB: 107 件

6S70
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Crystal structure of CARM1 in complex with inhibitor UM251
分子名称: 1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine, GLYCEROL, Histone-arginine methyltransferase CARM1
著者Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
登録日2019-07-04
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S74
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Crystal structure of CARM1 in complex with inhibitor UM305
分子名称: (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol, GLYCEROL, Histone-arginine methyltransferase CARM1
著者Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
登録日2019-07-04
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
6S77
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Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183
分子名称: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid, Histone-arginine methyltransferase CARM1
著者Gunnell, E.A, Muhsen, U, Dowden, J, Dreveny, I.
登録日2019-07-04
公開日2020-03-04
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Structural and biochemical evaluation of bisubstrate inhibitors of protein arginine N-methyltransferases PRMT1 and CARM1 (PRMT4).
Biochem.J., 477, 2020
3L0K
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Human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP
分子名称: 6-acetyluridine 5'-phosphate, GLYCEROL, Uridine 5'-monophosphate synthase
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2009-12-10
公開日2010-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3L0N
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Human orotidyl-5'-monophosphate decarboxylase in complex with 6-mercapto-UMP
分子名称: 6-sulfanyluridine-5'-phosphate, Uridine 5'-monophosphate synthase
著者Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
登録日2009-12-10
公開日2010-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
5A0B
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Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
登録日2015-04-17
公開日2015-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5A0C
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Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: (6S)-6-(4-cyano-2-methylsulfonyl-phenyl)-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-5-carbonitrile, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
登録日2015-04-17
公開日2015-08-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5A09
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Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: 2-[(4R)-4-(4-cyanophenyl)-5-ethanoyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, NEUTROPHIL ELASTASE, ...
著者vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
登録日2015-04-17
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
5A0A
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BU of 5a0a by Molmil
Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ...
著者vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A.
登録日2015-04-17
公開日2015-08-19
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
3JRY
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BU of 3jry by Molmil
Human Serum albumin with bound Sulfate
分子名称: SULFATE ION, Serum albumin
著者Hein, K.L, Kragh-Hansen, U, Morth, J.P, Nissen, P.
登録日2009-09-09
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic analysis reveals a unique lidocaine binding site on human serum albumin.
J.Struct.Biol., 171, 2010
3JQZ
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Crystal Structure of Human serum albumin complexed with Lidocaine
分子名称: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide, Serum albumin
著者Hein, K.L, Kragh-Hansen, U, Morth, J.P, Nissen, P.
登録日2009-09-08
公開日2010-04-21
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Crystallographic analysis reveals a unique lidocaine binding site on human serum albumin.
J.Struct.Biol., 2010
2IT8
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Solution structure of a linear analog of the cyclic squash trypsin inhibitor MCoTI-II
分子名称: Trypsin inhibitor 2
著者Avrutina, O, Chiche, L, Diederichsen, U, Heitz, A, Kolmar, H.
登録日2006-10-19
公開日2007-10-02
最終更新日2014-04-02
実験手法SOLUTION NMR
主引用文献Knottin cyclization: Structure and stability of cyclic and linear squash inhibitors do not differ significantly
To be Published
3EX3
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BU of 3ex3 by Molmil
human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct
分子名称: GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWX
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K314A mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, degraded to BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, GLYCEROL, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
2XHN
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Rhamnogalacturonan lyase from Aspergillus aculeatus K150A active site mutant
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, RHAMNOGALACTURONASE B, ...
著者Jensen, M.H, Otten, H, Christensen, U, Borchert, T.V, Christensen, L.L.H, Larsen, S, Lo Leggio, L.
登録日2010-06-18
公開日2010-09-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural and Biochemical Studies Elucidate the Mechanism of Rhamnogalacturonan Lyase from Aspergillus Aculeatus.
J.Mol.Biol., 404, 2010
1XS6
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dCTP deaminase from Escherichia coli. E138A mutant enzyme in complex with dUTP
分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION
著者Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M.
登録日2004-10-18
公開日2004-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes
J.Biol.Chem., 280, 2005
3EX4
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human orotidyl-5'-monophosphate decarboxylase in complex with BMP
分子名称: 6-HYDROXYURIDINE-5'-PHOSPHATE, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
1XS1
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dCTP deaminase from Escherichia coli in complex with dUTP
分子名称: DEOXYURIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION
著者Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M.
登録日2004-10-18
公開日2004-12-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes
J.Biol.Chem., 280, 2005
3EWU
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D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-acetyl-UMP, covalent adduct
分子名称: 6-ethyluridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ...
著者Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
1XS4
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dCTP deaminase from Escherichia coli- E138A mutant enzyme in complex with dCTP
分子名称: 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxycytidine triphosphate deaminase, MAGNESIUM ION
著者Johansson, E, Fano, M, Bynck, J.H, Neuhard, J, Larsen, S, Sigurskjold, B.W, Christensen, U, Willemoes, M.
登録日2004-10-18
公開日2004-12-21
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structures of dCTP deaminase from Escherichia coli with bound substrate and product: reaction mechanism and determinants of mono- and bifunctionality for a family of enzymes
J.Biol.Chem., 280, 2005
3EWY
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BU of 3ewy by Molmil
K314A mutant of human orotidyl-5'-monophosphate decarboxylase soaked with OMP, decarboxylated to UMP
分子名称: GLYCEROL, Orotidine-5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX2
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human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP
分子名称: 6-cyanouridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWW
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BU of 3eww by Molmil
D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-cyano-UMP, covalent adduct
分子名称: 6-[(E)-iminomethyl]uridine 5'-phosphate, GLYCEROL, Orotidine-5'-phosphate decarboxylase
著者Heinrich, D, Wittmann, J, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EWZ
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human orotidyl-5'-monophosphate decarboxylase in complex with 5-cyano-UMP
分子名称: 5-CYANO-URIDINE-5'-MONOPHOSPHATE, Orotidine-5'-phosphate decarboxylase, SULFATE ION
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009
3EX6
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D312N mutant of human orotidyl-5'-monophosphate decarboxylase in complex with 6-azido-UMP, covalent adduct
分子名称: CHLORIDE ION, GLYCEROL, Orotidine-5'-phosphate decarboxylase, ...
著者Heinrich, D, Diederichsen, U, Rudolph, M.
登録日2008-10-16
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Lys314 is a nucleophile in non-classical reactions of orotidine-5'-monophosphate decarboxylase
Chemistry, 15, 2009

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